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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
2,8-Dihydroxy-3,7,11-trimethyl-5,12-dioxatetracyclo[6.6.0.01,11.03,7]tetradecane-4,13-dione
296.31
-0.3
2
6
93.06
0
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
811.00
3.3
9
15
253.13
8
4-Oxononanal
156.22
1.2
0
2
34.14
7
2-Hydroxytetradecanoic acid
244.37
5.3
2
3
57.53
12
14-Deoxylactucin
260.28
0.5
1
4
63.6
0
[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] 13-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
967.00
-2.8
14
23
374.13
13
[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] 13-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
1129.20
-4.4
17
28
453.28
16
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1207.30
-1.3
15
26
412.82
14
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1207.30
-1.3
15
26
412.82
14
(1S,13S,14Z,19S,21S)-14-(2-hydroxyethylidene)-16-oxido-8-aza-16-azoniahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one
350.40
-0.1
1
3
63.6
1
((1S,4aS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methanamine
285.50
5.4
1
1
26.02
2
Decussine
301.40
3.3
0
2
21.06
0
4H-1-Benzopyran-4-one, 8-(2,5-dihydro-5,5-dimethyl-2-oxo-3-furanyl)-7-methoxy-2-phenyl-
362.40
3.7
0
5
65.74
3
Pseudosemiglabrin
392.40
3.3
0
6
74.97
3
21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one;chloride
337.80
1
2
41.67
0
Dehydroevidiamine
302.30
2.9
1
1
41.67
0
(3R,5S)-1-(4-hydroxy-3-methoxyphenyl)dodecane-3,5-diol
324.50
4
3
4
69.92
12
[8]-Gingerdiol
408.50
5.8
1
6
82.06
16
[3-Acetyloxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-5-yl] acetate
436.60
6.9
1
6
82.06
18
[(3R,5S)-3-acetyloxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-5-yl] acetate
436.60
6.9
1
6
82.06
18
2-(1,4-Dihydro-5-hydroxy-1,4-dioxo-2-naphthalenyl)-3-methoxy-5-methylbenzoic acid
338.30
3.1
2
6
100.9
3
Naproxen
230.26
3.3
1
3
46.53
3
Celerin
260.28
3.5
1
4
59.67
3
Olean-12-ene-3,16-diol, 28,29-epoxy-29-methoxy-, (3beta,16alpha,20beta)-
486.70
5.8
2
4
58.92
1
1-Ethyl-2-methylnaphthalene
170.25
4.7
0
0
0
1
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